5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne

C23H27N3O5 — CID 144806909

IUPAC5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne
SMILESC#CC.COc1cc2[nH]c(C=O)cc2cc1OCCN1C(=O)CC2(CCNCC2)C1=O
InChIInChI=1S/C20H23N3O5.C3H4/c1-27-16-10-15-13(8-14(12-24)22-15)9-17(16)28-7-6-23-18(25)11-20(19(23)26)2-4-21-5-3-20;1-3-2/h8-10,12,21-22H,2-7,11H2,1H3;1H,2H3
InChIKeyYGJOHBOUXVOOCK-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.14
Rot. Bonds6

About 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne

5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne (PubChem CID 144806909) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne.

Molecular Properties

Compound Name5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne
PubChem CID144806909
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne
SMILESC#CC.COc1cc2[nH]c(C=O)cc2cc1OCCN1C(=O)CC2(CCNCC2)C1=O
InChIInChI=1S/C20H23N3O5.C3H4/c1-27-16-10-15-13(8-14(12-24)22-15)9-17(16)28-7-6-23-18(25)11-20(19(23)26)2-4-21-5-3-20;1-3-2/h8-10,12,21-22H,2-7,11H2,1H3;1H,2H3
InChIKeyYGJOHBOUXVOOCK-UHFFFAOYSA-N
XLogP2.14
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne?
The IUPAC name of 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne (CID 144806909) is 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne.
What is the SMILES notation for 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne?
The canonical SMILES for 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne is C#CC.COc1cc2[nH]c(C=O)cc2cc1OCCN1C(=O)CC2(CCNCC2)C1=O.
What is the InChIKey of 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne?
The InChIKey is YGJOHBOUXVOOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5.C3H4/c1-27-16-10-15-13(8-14(12-24)22-15)9-17(16)28-7-6-23-18(25)11-20(19(23)26)2-4-21-5-3-20;1-3-2/h8-10,12,21-22H,2-7,11H2,1H3;1H,2H3.
What are the key properties of 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne?
5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne has a molecular weight of 425.49 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dioxo-2,8-diazaspiro[4.5]decan-2-yl)ethoxy]-6-methoxy-1H-indole-2-carbaldehyde;prop-1-yne is sourced from PubChem (CID 144806909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).